methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate

C11H20N2O3 — CID 60947765

IUPACmethyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCCN1)C(C)C
InChIInChI=1S/C11H20N2O3/c1-8(2)13(7-10(14)16-3)11(15)9-5-4-6-12-9/h8-9,12H,4-7H2,1-3H3
InChIKeyIWDFXADOYZBORY-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds4

About methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate

methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate (PubChem CID 60947765) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
PubChem CID60947765
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCCN1)C(C)C
InChIInChI=1S/C11H20N2O3/c1-8(2)13(7-10(14)16-3)11(15)9-5-4-6-12-9/h8-9,12H,4-7H2,1-3H3
InChIKeyIWDFXADOYZBORY-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159901
(2R)-N-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 93173809
(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
CID 61156228
methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
CID 54871718
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate
CID 62589837
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
(2R)-N-butan-2-yl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 103795441
N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide
CID 64562282
methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 93373232
methyl 2-methyl-3-[methyl(pyrrolidine-2-carbonyl)amino]propanoate
CID 60963906
(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 61163560

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate (CID 60947765) is methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate is COC(=O)CN(C(=O)C1CCCN1)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate?
The InChIKey is IWDFXADOYZBORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)13(7-10(14)16-3)11(15)9-5-4-6-12-9/h8-9,12H,4-7H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate?
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate has a molecular weight of 228.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate is sourced from PubChem (CID 60947765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).